CID 57562813

1161776-13-1

Structural Information

Molecular Formula
C5H4BrNOS
SMILES
CC(=O)C1=CN=C(S1)Br
InChI
InChI=1S/C5H4BrNOS/c1-3(8)4-2-7-5(6)9-4/h2H,1H3
InChIKey
XGHAHIKODQEJTA-UHFFFAOYSA-N
Compound name
1-(2-bromo-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

204.9197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92698 126.0
[M+Na]+ 227.90892 140.3
[M-H]- 203.91242 132.4
[M+NH4]+ 222.95352 150.2
[M+K]+ 243.88286 129.9
[M+H-H2O]+ 187.91696 127.0
[M+HCOO]- 249.91790 143.7
[M+CH3COO]- 263.93355 179.8
[M+Na-2H]- 225.89437 130.7
[M]+ 204.91915 147.2
[M]- 204.92025 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe